CID 74015

1421-00-7

Structural Information

Molecular Formula
C11H16Br2N2O2S
SMILES
C1=CC(=CC=C1N(CCCBr)CCBr)S(=O)(=O)N
InChI
InChI=1S/C11H16Br2N2O2S/c12-6-1-8-15(9-7-13)10-2-4-11(5-3-10)18(14,16)17/h2-5H,1,6-9H2,(H2,14,16,17)
InChIKey
HFKONGLDMIHZRA-UHFFFAOYSA-N
Compound name
4-[2-bromoethyl(3-bromopropyl)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.92993 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.93721 153.1
[M+Na]+ 420.91915 162.2
[M-H]- 396.92265 159.8
[M+NH4]+ 415.96375 169.0
[M+K]+ 436.89309 144.8
[M+H-H2O]+ 380.92719 158.6
[M+HCOO]- 442.92813 165.5
[M+CH3COO]- 456.94378 219.7
[M+Na-2H]- 418.90460 158.2
[M]+ 397.92938 188.6
[M]- 397.93048 188.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.